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| PMID | Data | Article Title | Citation | Organization | Data Download |
|---|---|---|---|---|---|
| 33488954 | 12 | Novel Pyrimidinones as SHP2 Antagonists for Treating Cancer. | ACS Med Chem Lett 12: 3-4 (2021) | Smith, Gambrell & Russell LLP | 2D 3D TSV |
| 33488956 | 18 | Novel Hexahydro-1 | ACS Med Chem Lett 12: 7-8 (2021) | Smith, Gambrell & Russell LLP | 2D 3D TSV |
| 33488958 | 28 | Cyclin-Dependent Kinase Inhibitors in Cancer Therapeutics. | ACS Med Chem Lett 12: 11-12 (2021) | Usona Institute | 2D 3D TSV |
| 33488960 | 87 | Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors. | ACS Med Chem Lett 12: 24-29 (2021) | Reaction Biology Corporation | 2D 3D TSV |
| 33488961 | 45 | Discovery of a Pyrimidothiazolodiazepinone as a Potent and Selective Focal Adhesion Kinase (FAK) Inhibitor. | ACS Med Chem Lett 12: 30-38 (2021) | Dana-Farber Cancer Institute | 2D 3D TSV |
| 33488962 | 72 | Studying Histone Deacetylase Inhibition and Apoptosis Induction of Psammaplin A Monomers with Modified Thiol Group. | ACS Med Chem Lett 12: 39-47 (2021) | Shenyang Pharmaceutical University | 2D 3D TSV |
| 33488964 | 2 | The Bicyclic Form of | ACS Med Chem Lett 12: 56-59 (2021) | Aarhus University | 2D 3D TSV |
| 33488965 | 28 | Design and Synthesis of Fragment Derivatives with a Unique Inhibition Mechanism of the uPAR·uPA Interaction. | ACS Med Chem Lett 12: 60-66 (2021) | Indiana University School of Medicine | 2D 3D TSV |
| 33488967 | 47 | Sweet and Blind Spots in E3 Ligase Ligand Space Revealed by a Thermophoresis-Based Assay. | ACS Med Chem Lett 12: 74-81 (2021) | Max Planck Institute for Developmental Biology | 2D 3D TSV |
| 33488968 | 1 | Design, Synthesis, and Biological Evaluation of IRAK4-Targeting PROTACs. | ACS Med Chem Lett 12: 82-87 (2021) | Chinese Academy of Sciences | 2D 3D TSV |
| 33488969 | 2 | Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3. | ACS Med Chem Lett 12: 93-98 (2021) | H3 Biomedicine | 2D 3D TSV |
| 33488970 | 4 | Discovery of an Anion-Dependent Farnesyltransferase Inhibitor from a Phenotypic Screen. | ACS Med Chem Lett 12: 99-106 (2021) | Merck & Co. | 2D 3D TSV |
| 33488971 | 3 | Solution Conformations Shed Light on PROTAC Cell Permeability. | ACS Med Chem Lett 12: 107-114 (2021) | Uppsala University | 2D 3D TSV |
| 33488972 | 56 | Multiresidue Tetrapeptide Substitutions Yield a 140-fold Selective Melanocortin-3 over Melanocortin-4 Receptor Agonist. | ACS Med Chem Lett 12: 115-120 (2021) | University of Minnesota | 2D 3D TSV |
| 33488974 | 137 | Discovery of a Novel Series of Potent and Selective Alkynylthiazole-Derived PI3K? Inhibitors. | ACS Med Chem Lett 12: 129-135 (2021) | Vertex Pharmaceuticals Inc | 2D 3D TSV |
| 33488975 | 12 | Synthesis and Metabolism of BTN3A1 Ligands: Studies on Modifications of the Allylic Alcohol. | ACS Med Chem Lett 12: 136-142 (2021) | University of Iowa | 2D 3D TSV |
| 33488976 | 127 | Discovery of a Series of Pyrazinone ROR? Antagonists and Identification of the Clinical Candidate BI 730357. | ACS Med Chem Lett 12: 143-154 (2021) | Boehringer Ingelheim Pharmaceuticals | 2D 3D TSV |
| 33488977 | 119 | Discovery of PIPE-359, a Brain-Penetrant, Selective M | ACS Med Chem Lett 12: 155-161 (2021) | Pipeline Therapeutics | 2D 3D TSV |
| 33488978 | 18 | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET. | ACS Med Chem Lett 12: 162-167 (2021) | AstraZeneca | 2D 3D TSV |
| 33603957 | 6 | Dihydroorotate Dehydrogenase Inhibitors for Treating Acute Myelogenous Leukemia (AML). | ACS Med Chem Lett 12: 170-171 (2021) | Smith, Gambrell & Russell LLP | 2D 3D TSV |
| 33603959 | 6 | Novel Galectin-3 Inhibitors for Treating Fibrosis. | ACS Med Chem Lett 12: 174-175 (2021) | Smith, Gambrell & Russell LLP | 2D 3D TSV |
| 33603961 | 20 | Sigma-1 and Sigma-2 Receptor Modulators as Potential Therapeutics for Alzheimer's Disease. | ACS Med Chem Lett 12: 178-179 (2021) | Usona Institute | 2D 3D TSV |
| 33603962 | 19 | Methionine Adenosyltransferase Inhibitors for the Treatment of Cancer. | ACS Med Chem Lett 12: 180-181 (2021) | Usona Institute | 2D 3D TSV |
| 33603963 | 33 | Potential of Cyclin-Dependent Kinase Inhibitors as Cancer Therapy. | ACS Med Chem Lett 12: 182-184 (2021) | Therachem Research Medilab, LLC | 2D 3D TSV |
| 33603965 | 57 | Discovery of Hydroxyamidine Derivatives as Highly Potent, Selective Indoleamine-2,3-dioxygenase 1 Inhibitors. | ACS Med Chem Lett 12: 195-201 (2021) | Shanghai Hengrui Pharmaceutical Co., Ltd. | 2D 3D TSV |
| 33603966 | 1 | Investigation on the Anticancer Activity of Symmetric and Unsymmetric Cyclic Sulfamides. | ACS Med Chem Lett 12: 202-210 (2021) | National Institutes of Health (NIH) National Center of Excellence for Computational Drug Abuse Research | 2D 3D TSV |
| 33603967 | 38 | Discovery of Carbono(di)thioates as Indoleamine 2,3-Dioxygenase 1 Inhibitors. | ACS Med Chem Lett 12: 211-216 (2021) | Kogakuin University | 2D 3D TSV |
| 33603968 | 34 | Virtual Screening Approach to Identifying a Novel and Tractable Series of | ACS Med Chem Lett 12: 217-227 (2021) | Antabio SAS | 2D 3D TSV |
| 33603969 | 8 | Development of a Hematopoietic Prostaglandin D Synthase-Degradation Inducer. | ACS Med Chem Lett 12: 236-241 (2021) | National Institute of Health Sciences | 2D 3D TSV |
| 33603970 | 12 | Sulfamoylbenzamide-based Capsid Assembly Modulators for Selective Inhibition of Hepatitis B Viral Replication. | ACS Med Chem Lett 12: 242-248 (2021) | Korea Research Institute of Chemical Technology | 2D 3D TSV |
| 33603971 | 19 | Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead. | ACS Med Chem Lett 12: 249-255 (2021) | Yale University | 2D 3D TSV |
| 33603974 | 21 | A New FXR Ligand Chemotype with Agonist/Antagonist Switch. | ACS Med Chem Lett 12: 267-274 (2021) | Goethe-University Frankfurt | 2D 3D TSV |
| 33603977 | 61 | Discovery and Preclinical Evaluation of BMS-986242, a Potent, Selective Inhibitor of Indoleamine-2,3-dioxygenase 1. | ACS Med Chem Lett 12: 288-294 (2021) | Bristol Myers Squibb Research and Development | 2D 3D TSV |
| 33603979 | 44 | Fragment-Based Discovery of Novel Allosteric MEK1 Binders. | ACS Med Chem Lett 12: 302-308 (2021) | AstraZeneca | 2D 3D TSV |
| 33738047 | 6 | 1-Pyrazolyl-5,6-Disubstituted Indazole Derivatives as LRRK2 Inhibitors for Treating Parkinson's Disease. | ACS Med Chem Lett 12: 310-311 (2021) | Smith, Gambrell & Russell LLP | 2D 3D TSV |
| 33738048 | 6 | Novel Oxazine Monoacylglycerol Lipase (MAGL) Inhibitors. | ACS Med Chem Lett 12: 312-313 (2021) | Smith, Gambrell & Russell LLP | 2D 3D TSV |
| 33738049 | 6 | Novel Benzimidazole Derivatives as Transient Receptor Potential Channel 6 (TRPC6) Inhibitors. | ACS Med Chem Lett 12: 314-315 (2021) | Smith, Gambrell & Russell LLP | 2D 3D TSV |
| 33738052 | 6 | Novel Bicyclic Heterocycles as FGFR Inhibitors for Treating Cancer. | ACS Med Chem Lett 12: 320-321 (2021) | Smith, Gambrell & Russell LLP | 2D 3D TSV |
| 33738055 | 10 | Tumor-Targeted Bivalent Protein Degradation for Application in Cancer Therapy. | ACS Med Chem Lett 12: 326-327 (2021) | Usona Institute | 2D 3D TSV |
| 33738056 | 10 | Targeting Stimulator of Interferon Genes (STING) for the Potential Treatment of Cancer and Infectious Diseases. | ACS Med Chem Lett 12: 328-330 (2021) | Usona Institute | 2D 3D TSV |
| 33738058 | 10 | Myeloid Cell Leukemia-1 Inhibitors as Emerging Cancer Treatment. | ACS Med Chem Lett 12: 334-336 (2021) | Therachem Research Medilab, LLC. | 2D 3D TSV |
| 33738059 | 144 | Synthesis of HDAC Inhibitor Libraries via Microscale Workflow. | ACS Med Chem Lett 12: 337-342 (2021) | Merck & Co. | 2D 3D TSV |
| 33738061 | 43 | Novel Potent Selective Orally Active S1P5 Receptor Antagonists. | ACS Med Chem Lett 12: 351-355 (2021) | Biogen Inc. | 2D 3D TSV |
| 33738063 | 99 | Design and Structure-Activity Relationship of a Potent Furin Inhibitor Derived from Influenza Hemagglutinin. | ACS Med Chem Lett 12: 365-372 (2021) | University of Gda?sk | 2D 3D TSV |
| 33738064 | 156 | Biological Evaluation of 5'-( | ACS Med Chem Lett 12: 373-379 (2021) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
| 33738065 | 78 | Evaluation of 5-(Trifluoromethyl)-1,2,4-oxadiazole-Based Class IIa HDAC Inhibitors for Huntington's Disease. | ACS Med Chem Lett 12: 380-388 (2021) | Charles River Discovery | 2D 3D TSV |
| 33738066 | 59 | Carbamate and | ACS Med Chem Lett 12: 389-396 (2021) | Merck & Co., Inc. | 2D 3D TSV |
| 33738067 | 71 | Discovery of 5-Benzylidene-2-phenyl-1,3-dioxane-4,6-diones as Highly Potent and Selective SIRT1 Inhibitors. | ACS Med Chem Lett 12: 397-403 (2021) | Chinese Academy of Sciences | 2D 3D TSV |
| 33738070 | 16 | Discovery of Orally Active and Nonsteroidal Farnesoid X Receptor (FXR) Antagonist with Propensity for Accumulation and Responsiveness in Ileum. | ACS Med Chem Lett 12: 420-425 (2021) | Hiroshima International University | 2D 3D TSV |
| 33732412 | 14 | The Basicity Makes the Difference: Improved Canavanine-Derived Inhibitors of the Proprotein Convertase Furin. | ACS Med Chem Lett 12: 426-432 (2021) | Philipps University | 2D 3D TSV |
| 33732413 | 85 | Discovery of Orally Active Isofuranones as Potent, Selective Inhibitors of Hematopoetic Progenitor Kinase 1. | ACS Med Chem Lett 12: 443-450 (2021) | Bristol Myers Squibb Company | 2D 3D TSV |
| 33738072 | 93 | Discovery of a Novel Series of Pyridone-Based EP3 Antagonists for the Treatment of Type 2 Diabetes. | ACS Med Chem Lett 12: 451-458 (2021) | Janssen Research & Development, LLC | 2D 3D TSV |
| 33738073 | 45 | Identification of Potent Reverse Indazole Inhibitors for HPK1. | ACS Med Chem Lett 12: 459-466 (2021) | Merck & Co. | 2D 3D TSV |
| 33738076 | 26 | Structure-based Discovery of Cell-Potent Peptidomimetic Inhibitors for Protein N-Terminal Methyltransferase 1. | ACS Med Chem Lett 12: 485-493 (2021) | Purdue University | 2D 3D TSV |
| 33738077 | 65 | Discovery of Imidazopyridines as Potent Inhibitors of Indoleamine 2,3-Dioxygenase 1 for Cancer Immunotherapy. | ACS Med Chem Lett 12: 494-501 (2021) | Bristol Myers Squibb Research and Development | 2D 3D TSV |
| 33859788 | 6 | Novel Pyridazines as Autotaxin Inhibitors for Treating Inflammatory Airway or Fibrotic Diseases. | ACS Med Chem Lett 12: 528-529 (2021) | Smith, Gambrell & Russell LLP | 2D 3D TSV |
| 33859789 | 6 | Novel N-Heteroaryl Indazole Derivatives as LRRK2 Inhibitors for Treating Parkinson's Disease. | ACS Med Chem Lett 12: 530-531 (2021) | Smith, Gambrell & Russell LLP | 2D 3D TSV |
| 33859790 | 6 | Thienopyridinyl and Thiazolopyridinyl Compounds as IRAK4 Inhibitors. | ACS Med Chem Lett 12: 532-533 (2021) | Smith, Gambrell & Russell LLP | 2D 3D TSV |
| 33859793 | 4 | Novel Pyrimidine-5-carboxamide Compounds as NNMT Inhibitors for Treating Diabetes. | ACS Med Chem Lett 12: 538-539 (2021) | Smith, Gambrell & Russell LLP | 2D 3D TSV |
| 33859795 | 45 | Discovery of 2,4-1 | ACS Med Chem Lett 12: 555-562 (2021) | ZoBio BV | 2D 3D TSV |
| 33859797 | 5 | Discovery of a Highly Selective and Potent TRPC3 Inhibitor with High Metabolic Stability and Low Toxicity. | ACS Med Chem Lett 12: 572-578 (2021) | the University of Tennessee Health Science Center | 2D 3D TSV |
| 33859800 | 48 | Discovery of the First Orally Available, Selective K | ACS Med Chem Lett 12: 593-602 (2021) | Praxis Precision Medicines | 2D 3D TSV |
| 33854702 | 33 | Synthesis, Inhibitory Activity, and | ACS Med Chem Lett 12: 610-616 (2021) | Czech Academy of Sciences | 2D 3D TSV |
| 33859801 | 5 | A Set of Highly Sensitive Sirtuin Fluorescence Probes for Screening Small-Molecular Sirtuin Defatty-Acylase Inhibitors. | ACS Med Chem Lett 12: 617-624 (2021) | Nagoya City University | 2D 3D TSV |
| 33854703 | 26 | Covalent Occlusion of the ROR?t Ligand Binding Pocket Allows Unambiguous Targeting of an Allosteric Site. | ACS Med Chem Lett 12: 631-639 (2021) | Technische Universiteit Eindhoven | 2D 3D TSV |
| 33859803 | 49 | Investigation of Covalent Warheads in the Design of 2-Aminopyrimidine-based FGFR4 Inhibitors. | ACS Med Chem Lett 12: 647-652 (2021) | Jinan University | 2D 3D TSV |
| 34055205 | 14 | Pyrrolo-pyridazine Derivatives as Muscarinic M | ACS Med Chem Lett 12: 677-678 (2021) | Temple University School of Pharmacy | 2D 3D TSV |
| 34055207 | 6 | Novel Substituted Exomethylene-oxindoles as HPK1 Inhibitors. | ACS Med Chem Lett 12: 681-682 (2021) | Smith, Gambrell & Russell LLP | 2D 3D TSV |
| 34055208 | 6 | Novel Pyrazolo[3,4- | ACS Med Chem Lett 12: 683-684 (2021) | Smith, Gambrell & Russell LLP | 2D 3D TSV |
| 34055211 | 6 | Novel Amide Compounds as KIF18A Inhibitors for Treating Cancer. | ACS Med Chem Lett 12: 690-691 (2021) | Smith, Gambrell & Russell LLP | 2D 3D TSV |
| 34055212 | 6 | Novel Heterobicyclic Carboxamides for Treating Eye Diseases. | ACS Med Chem Lett 12: 692-693 (2021) | Smith, Gambrell & Russell LLP | 2D 3D TSV |
| 34055214 | 13 | Structure-Activity Study of Nitazoxanide Derivatives as Novel STAT3 Pathway Inhibitors. | ACS Med Chem Lett 12: 696-703 (2021) | Peking University Health Science Center | 2D 3D TSV |
| 34055218 | 2 | Discovery of a Potent and Selective Covalent p300/CBP Inhibitor. | ACS Med Chem Lett 12: 726-731 (2021) | AbbVie, Inc. | 2D 3D TSV |
| 34055221 | 73 | Discovery of Selective Transforming Growth Factor ? Type II Receptor Inhibitors as Antifibrosis Agents. | ACS Med Chem Lett 12: 745-751 (2021) | Japan Tobacco Inc. | 2D 3D TSV |
| 34055223 | 8 | Structural and in Vitro Functional Characterization of a Menthyl TRPM8 Antagonist Indicates Species-Dependent Regulation. | ACS Med Chem Lett 12: 758-767 (2021) | Marshall University | 2D 3D TSV |
| 34055224 | 9 | Design, Synthesis, and Biological Evaluation of Imidazopyridines as PD-1/PD-L1 Antagonists. | ACS Med Chem Lett 12: 768-773 (2021) | University of Groningen | 2D 3D TSV |
| 34055227 | 16 | Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a Pyridopyridazinone pan-RAF Kinase Inhibitor. | ACS Med Chem Lett 12: 791-797 (2021) | Genentech | 2D 3D TSV |
| 34055228 | 45 | Development of Fluorescence Imaging Probes for Labeling COX-1 in Live Ovarian Cancer Cells. | ACS Med Chem Lett 12: 798-804 (2021) | University of Alberta | 2D 3D TSV |
| 34055231 | 35 | Discovery of a Novel Class of ERR? Agonists. | ACS Med Chem Lett 12: 817-821 (2021) | Daiichi Sankyo Co., Ltd. | 2D 3D TSV |
| 34055233 | 92 | Azatricyclic Inverse Agonists of ROR?t That Demonstrate Efficacy in Models of Rheumatoid Arthritis and Psoriasis. | ACS Med Chem Lett 12: 827-835 (2021) | Bristol Myers Squibb Company | 2D 3D TSV |
| 34055234 | 52 | Discovery of 1,5-Dihydro-4 | ACS Med Chem Lett 12: 836-845 (2021) | Zhejiang University | 2D 3D TSV |
| 34141055 | 2 | Novel Small Molecule RNA m6A Demethylase AlkBH5 Inhibitors for Treating Cancer. | ACS Med Chem Lett 12: 856-857 (2021) | Smith, Gambrell & Russell LLP | 2D 3D TSV |
| 34141076 | 6 | Benzo[d]thiazol-5-yl Compounds as O-GlcNAcase Inhibitors for Treating Alzheimer's Disease. | ACS Med Chem Lett 12: 947-948 (2021) | Smith, Gambrell & Russell LLP | 2D 3D TSV |
| 34141078 | 12 | Novel Bromodomain BRD4 Inhibitors for Treating Cancer. | ACS Med Chem Lett 12: 951-952 (2021) | Smith, Gambrell & Russell LLP | 2D 3D TSV |
| 34141079 | 6 | 5-Fluoronicotinamide Derivatives as HDAC6 Inhibitors for Treating Heart Diseases. | ACS Med Chem Lett 12: 953-954 (2021) | Smith, Gambrell & Russell LLP | 2D 3D TSV |
| 34141080 | 49 | Discovery of Potent, Selective Triazolothiadiazole-Containing c-Met Inhibitors. | ACS Med Chem Lett 12: 955-960 (2021) | Vertex Pharmaceuticals Inc | 2D 3D TSV |
| 34141082 | 43 | Discovery of BMS-753426: A Potent Orally Bioavailable Antagonist of CC Chemokine Receptor 2. | ACS Med Chem Lett 12: 969-975 (2021) | Bristol Myers Squibb Company | 2D 3D TSV |
| 34141084 | 9 | SD-91 as A Potent and Selective STAT3 Degrader Capable of Achieving Complete and Long-Lasting Tumor Regression. | ACS Med Chem Lett 12: 996-1004 (2021) | University of Michigan | 2D 3D TSV |
| 34141085 | 57 | Discovery of Orally Bioavailable Ligand Efficient Quinazolindiones as Potent and Selective Tankyrases Inhibitors. | ACS Med Chem Lett 12: 1005-1010 (2021) | GlaxoSmithKline | 2D 3D TSV |
| 34141086 | 11 | Structure-Based Design of A-1293102, a Potent and Selective BCL-X | ACS Med Chem Lett 12: 1011-1016 (2021) | AbbVie Inc. | 2D 3D TSV |
| 34141087 | 11 | Discovery of Novel PTP1B Inhibitors Derived from the BH3 Domain of Proapoptotic Bcl-2 Proteins with Antidiabetic Potency. | ACS Med Chem Lett 12: 1017-1023 (2021) | Qingdao University of Science and Technology | 2D 3D TSV |
| 34141088 | 6 | Creation of Fluorescent RXR Antagonists Based on CBTF-EE and Application to a Fluorescence Polarization Binding Assay. | ACS Med Chem Lett 12: 1024-1029 (2021) | Okayama University Graduate School of Medicine | 2D 3D TSV |
| 34141090 | 52 | Discovery of Arylsulfonamide Na | ACS Med Chem Lett 12: 1038-1049 (2021) | Merck & Co. | 2D 3D TSV |
| 34408808 | 40 | Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency. | ACS Med Chem Lett 12: 1325-1332 (2021) | Yale University | 2D 3D TSV |
| 34408808 | 32 | Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency | ACS Med Chem Lett 12: 1325-1332 (2021) | Yale University | 2D 3D TSV |